A microscopic theory of the f.c.c.-b.c.c. interface

Sengupta, S. ; Krishnamurthy, H. R. ; Ramakrishnan, T. V. (1994) A microscopic theory of the f.c.c.-b.c.c. interface Europhysics Letters, 27 (8). pp. 587-592. ISSN 0295-5075

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Official URL: http://iopscience.iop.org/0295-5075/27/8/006

Related URL: http://dx.doi.org/10.1209/0295-5075/27/8/006

Abstract

We present a first-principles theory of the equilibrium b.c.c.-f.c.c. interface at coexistence using the density functional method. We assume that the interfacial region has local body-centred tetragonal (b.c.t.) symmetry and predict typical interfacial widths to be of order 2 to 3 lattice spacings with typical energies close to 0.05 J/m2. These quantities are in good agreement with laboratory measurements on coherent interfaces.

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